4-[5-(4-aminophenoxy)pentoxy]aniline

C17H22N2O2 — CID 14173

IUPAC4-[5-(4-aminophenoxy)pentoxy]aniline
SMILESNc1ccc(OCCCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13,18-19H2
InChIKeySLHXQWDUYXSTPA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.48
Rot. Bonds8

About 4-[5-(4-aminophenoxy)pentoxy]aniline

4-[5-(4-aminophenoxy)pentoxy]aniline (PubChem CID 14173) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[5-(4-aminophenoxy)pentoxy]aniline.

Molecular Properties

Compound Name4-[5-(4-aminophenoxy)pentoxy]aniline
PubChem CID14173
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[5-(4-aminophenoxy)pentoxy]aniline
SMILESNc1ccc(OCCCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13,18-19H2
InChIKeySLHXQWDUYXSTPA-UHFFFAOYSA-N
XLogP3.48
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
4,4'-Diaminodiphenyl Ether
CID 7579
4-Hexyloxyaniline
CID 38360
Diamfenetide
CID 37384
4-Benzyloxyaniline
CID 22860
Benzenamine, 2-phenoxy-
CID 75899
4-Isopropoxydiphenylamine
CID 7574
Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-
CID 17201
4-Anisidine hydrochloride
CID 2734956
1-Nitro-4-phenoxybenzene
CID 12110
4-Butyloxyaniline
CID 20352

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenoxy)pentoxy]aniline?
The IUPAC name of 4-[5-(4-aminophenoxy)pentoxy]aniline (CID 14173) is 4-[5-(4-aminophenoxy)pentoxy]aniline.
What is the SMILES notation for 4-[5-(4-aminophenoxy)pentoxy]aniline?
The canonical SMILES for 4-[5-(4-aminophenoxy)pentoxy]aniline is Nc1ccc(OCCCCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[5-(4-aminophenoxy)pentoxy]aniline?
The InChIKey is SLHXQWDUYXSTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13,18-19H2.
What are the key properties of 4-[5-(4-aminophenoxy)pentoxy]aniline?
4-[5-(4-aminophenoxy)pentoxy]aniline has a molecular weight of 286.38 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenoxy)pentoxy]aniline is sourced from PubChem (CID 14173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).